Geometry & MOs

Info

ID:	149204
PubChem CID:	53788876
Reduced:	Cl2N3H13C15 (1)
Stoich.:	A2B3C13D15 (1)
Weight, g/mol:	317.121452
ΔH_f, kcal/mol:	71.88
Dipole, Da:	3.28
IP(EA), eV:	-9.62(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-diethoxyphosphorylbutylsulfanyl)aniline

Drug info:

PubChemData

Smile

CC1(CC(N=N1)C2=CC=C(C=C2)Cl)C3=CN=C(C=C3)Cl

DOS

IR

Vibrations